(2S)-2-amino-N-[(1S)-1-cyano-3-phenylpropyl]-3-thiophen-2-ylpropanamide

C17H19N3OS — CID 46883428

IUPAC(2S)-2-amino-N-[(1S)-1-cyano-3-phenylpropyl]-3-thiophen-2-ylpropanamide
SMILESN#C[C@H](CCc1ccccc1)NC(=O)[C@@H](N)Cc1cccs1
InChIInChI=1S/C17H19N3OS/c18-12-14(9-8-13-5-2-1-3-6-13)20-17(21)16(19)11-15-7-4-10-22-15/h1-7,10,14,16H,8-9,11,19H2,(H,20,21)/t14-,16-/m0/s1
InChIKeyBRVDRPWFUGZVRQ-HOCLYGCPSA-N
MW313.43 g/mol
LogP2.26
Rot. Bonds7

About (2S)-2-amino-N-[(1S)-1-cyano-3-phenylpropyl]-3-thiophen-2-ylpropanamide

(2S)-2-amino-N-[(1S)-1-cyano-3-phenylpropyl]-3-thiophen-2-ylpropanamide (PubChem CID 46883428) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1S)-1-cyano-3-phenylpropyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1S)-1-cyano-3-phenylpropyl]-3-thiophen-2-ylpropanamide
PubChem CID46883428
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name(2S)-2-amino-N-[(1S)-1-cyano-3-phenylpropyl]-3-thiophen-2-ylpropanamide
SMILESN#C[C@H](CCc1ccccc1)NC(=O)[C@@H](N)Cc1cccs1
InChIInChI=1S/C17H19N3OS/c18-12-14(9-8-13-5-2-1-3-6-13)20-17(21)16(19)11-15-7-4-10-22-15/h1-7,10,14,16H,8-9,11,19H2,(H,20,21)/t14-,16-/m0/s1
InChIKeyBRVDRPWFUGZVRQ-HOCLYGCPSA-N
XLogP2.26
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-3-thiophen-2-ylpropanamide
CID 18343482
(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 104983787
(2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]butanamide
CID 11736400
(2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 170910029
2-amino-N-[3-imino-1-(4-phenylphenyl)butan-2-yl]-3-thiophen-2-ylpropanamide
CID 91110780
(2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide
CID 78984626
methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351
2-(2-chloro-4-phenylbutyl)thiophene
CID 63519028
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide
CID 14991605
thiophen-2-ylmethyl (2R)-2-amino-3-phenylpropanoate
CID 94230493
methyl 4-phenyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62881287
(2S)-2-amino-N-[(2S)-6-amino-1-(3,4-dimethylphenoxy)hexan-2-yl]-3-thiophen-2-ylpropanamide
CID 70294424

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1S)-1-cyano-3-phenylpropyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(1S)-1-cyano-3-phenylpropyl]-3-thiophen-2-ylpropanamide (CID 46883428) is (2S)-2-amino-N-[(1S)-1-cyano-3-phenylpropyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1S)-1-cyano-3-phenylpropyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(1S)-1-cyano-3-phenylpropyl]-3-thiophen-2-ylpropanamide is N#C[C@H](CCc1ccccc1)NC(=O)[C@@H](N)Cc1cccs1.
What is the InChIKey of (2S)-2-amino-N-[(1S)-1-cyano-3-phenylpropyl]-3-thiophen-2-ylpropanamide?
The InChIKey is BRVDRPWFUGZVRQ-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H19N3OS/c18-12-14(9-8-13-5-2-1-3-6-13)20-17(21)16(19)11-15-7-4-10-22-15/h1-7,10,14,16H,8-9,11,19H2,(H,20,21)/t14-,16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1S)-1-cyano-3-phenylpropyl]-3-thiophen-2-ylpropanamide?
(2S)-2-amino-N-[(1S)-1-cyano-3-phenylpropyl]-3-thiophen-2-ylpropanamide has a molecular weight of 313.43 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1S)-1-cyano-3-phenylpropyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 46883428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).